CID 11020679

1-(1-bromoethyl)-4-nitrobenzene

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
CC(C1=CC=C(C=C1)[N+](=O)[O-])Br
InChI
InChI=1S/C8H8BrNO2/c1-6(9)7-2-4-8(5-3-7)10(11)12/h2-6H,1H3
InChIKey
LLTKPPRBFXTUKH-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

228.97385 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 140.9
[M+Na]+ 251.96307 144.8
[M+NH4]+ 247.00767 146.0
[M+K]+ 267.93701 147.1
[M-H]- 227.96657 142.7
[M+Na-2H]- 249.94852 144.5
[M]+ 228.97330 140.7
[M]- 228.97440 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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